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{
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"results": [
{
"id": "jvasp-93764",
"created_at": "2022-09-04T14:36:34.631855Z",
"updated_at": "2022-09-04T14:36:34.631880Z",
"structure_string": "Tm1 B2 Rh3\n1.0\n0.021953 0.000000 3.145103\n-5.378285 -0.000000 0.037537\n-2.689142 -4.657902 0.018769\nTm B Rh\n1 2 3\ndirect\n0.500000 0.500001 -0.000000 Tm\n0.500000 0.166676 0.666647 B\n0.500000 0.833325 0.333353 B\n0.000000 0.000000 0.000000 Rh\n0.000001 0.500000 0.500000 Rh\n0.000000 -0.000000 0.500000 Rh\n",
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"elements": [
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{
"id": "jvasp-71225",
"created_at": "2022-09-04T14:35:44.387027Z",
"updated_at": "2022-09-04T14:35:44.387053Z",
"structure_string": "Li1 Be1 Tc2\n1.0\n2.986006 0.000000 0.000000\n0.000000 2.986006 0.000000\n0.000000 0.000000 5.796697\nLi Be Tc\n1 1 2\ndirect\n0.500001 0.500001 0.725151 Li\n0.000000 0.000000 0.501595 Be\n0.000000 0.000000 0.018443 Tc\n0.500001 0.500001 0.254812 Tc\n",
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],
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"volume": 51.68469431206759,
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"spacegroup": 99
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{
"id": "jvasp-15397",
"created_at": "2022-09-04T14:36:15.438655Z",
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"structure_string": "Mn1 Co2 Si1\n1.0\n3.450442 -0.000000 1.992114\n1.150147 3.253109 1.992114\n0.000000 -0.000000 3.984227\nMn Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.749999 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.499999 Si\n",
"nsites": 4,
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"elements": [
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"Co",
"Si"
],
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"density": 7.459158828843381,
"density_atomic": 0.08944222005749569,
"volume": 44.72160907263594,
"volume_molar": 6.732995621227668,
"formula_full": "Mn1 Co2 Si1",
"formula_reduced": "MnCo2Si",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-48112",
"created_at": "2022-09-04T14:36:20.639443Z",
"updated_at": "2022-09-04T14:36:20.639473Z",
"structure_string": "Li1 Mn2 B2 O6\n1.0\n5.143232 -0.003258 -0.074782\n-2.563059 4.554459 0.008929\n-2.225093 -1.423151 5.112395\nLi Mn B O\n1 2 2 6\ndirect\n0.449379 0.397311 0.666412 Li\n0.830516 0.224435 0.243777 Mn\n0.146907 0.764251 0.741929 Mn\n0.182248 0.907848 0.256657 B\n0.818059 0.087780 0.746298 B\n0.025599 0.680884 0.365482 O\n0.336689 0.856292 0.123422 O\n0.213628 0.179798 0.298502 O\n0.782492 0.810230 0.724427 O\n0.620763 0.138205 0.830346 O\n0.028456 0.318967 0.671273 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-Li-Mn-O",
"density": 3.2782776331021193,
"density_atomic": 0.0926330492882942,
"volume": 118.74811511133144,
"volume_molar": 6.501071492592009,
"formula_full": "Li1 Mn2 B2 O6",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.391910059038662,
"spacegroup": 1
},
{
"id": "jvasp-44681",
"created_at": "2022-09-04T14:38:07.695894Z",
"updated_at": "2022-09-04T14:38:07.695920Z",
"structure_string": "Li1 Mn3 Cr1 O8\n1.0\n0.044835 4.102747 4.102747\n4.102747 0.044835 4.102747\n4.102747 4.102747 0.044835\nLi Mn Cr O\n1 3 1 8\ndirect\n0.876046 0.876046 0.876046 Li\n0.498956 0.003305 0.498956 Mn\n0.498956 0.498956 0.003305 Mn\n0.003305 0.498956 0.498956 Mn\n0.499197 0.499197 0.499197 Cr\n0.264196 0.264196 0.264196 O\n0.706527 0.260971 0.260971 O\n0.260971 0.706527 0.260971 O\n0.260971 0.260971 0.706527 O\n0.739671 0.289322 0.739671 O\n0.739671 0.739671 0.289322 O\n0.289322 0.739671 0.739671 O\n0.737213 0.737213 0.737213 O\n",
"nsites": 13,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.299344889932312,
"density_atomic": 0.09569006192053807,
"volume": 135.8552783756721,
"volume_molar": 6.293381610517551,
"formula_full": "Li1 Mn3 Cr1 O8",
"formula_reduced": "LiMn3CrO8",
"formula_anonymous": "ABC3D8",
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"spacegroup": 160
},
{
"id": "jvasp-42259",
"created_at": "2022-09-04T14:36:17.661900Z",
"updated_at": "2022-09-04T14:36:17.661926Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.276435 0.004461 -0.018457\n0.021726 5.714264 -0.053793\n-0.020645 1.373805 7.768086\nLi Mn B O\n2 4 4 12\ndirect\n0.343810 0.049128 0.257847 Li\n0.656189 0.950872 0.742154 Li\n0.177070 0.194625 0.559984 Mn\n0.294838 0.348949 0.916390 Mn\n0.705161 0.651050 0.083611 Mn\n0.822929 0.805375 0.440017 Mn\n0.824474 0.151685 0.096629 B\n0.676093 0.321851 0.418305 B\n0.323906 0.678149 0.581695 B\n0.175524 0.848315 0.903372 B\n0.197430 0.861173 0.472859 O\n0.575304 0.692449 0.614642 O\n0.184122 0.488338 0.666482 O\n0.672859 0.333631 0.010755 O\n0.327140 0.666369 0.989246 O\n0.081477 0.169425 0.104662 O\n0.424695 0.307551 0.385359 O\n0.802569 0.138827 0.527141 O\n0.305243 0.045349 0.810835 O\n0.694756 0.954651 0.189166 O\n0.815877 0.511662 0.333519 O\n0.918522 0.830574 0.895338 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Li-Mn-O",
"density": 3.3187270215966267,
"density_atomic": 0.09377601233701789,
"volume": 234.60157295807238,
"volume_molar": 6.421834976686006,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 2
},
{
"id": "jvasp-116594",
"created_at": "2022-09-04T14:38:42.438881Z",
"updated_at": "2022-09-04T14:38:42.438919Z",
"structure_string": "Rb2 Tb2 W4 O16\n1.0\n6.644856 -0.057339 3.518036\n-1.641615 6.439138 3.518036\n-0.045114 -0.057544 7.573738\nTb Rb W O\n2 2 4 16\ndirect\n0.772171 0.227831 0.750000 Tb\n0.227830 0.772170 0.250000 Tb\n0.199575 0.800426 0.750000 Rb\n0.800426 0.199574 0.250000 Rb\n0.698238 0.693106 0.769799 W\n0.301763 0.306895 0.230201 W\n0.306895 0.301763 0.730201 W\n0.693105 0.698238 0.269799 W\n0.207048 0.046440 0.308810 O\n0.792952 0.953561 0.691190 O\n0.368308 0.585259 0.471060 O\n0.631693 0.414742 0.528941 O\n0.414741 0.631693 0.028941 O\n0.585259 0.368308 0.971060 O\n0.065837 0.384695 0.371347 O\n0.759726 0.618770 0.058791 O\n0.615305 0.934164 0.128654 O\n0.384695 0.065837 0.871347 O\n0.046440 0.207049 0.808810 O\n0.240275 0.381231 0.941210 O\n0.381230 0.240275 0.441210 O\n0.618770 0.759726 0.558791 O\n0.934164 0.615306 0.628654 O\n0.953561 0.792952 0.191191 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-Tb-W",
"density": 7.538083856635761,
"density_atomic": 0.07360736676989128,
"volume": 326.05432109842945,
"volume_molar": 8.181437571087416,
"formula_full": "Rb2 Tb2 W4 O16",
"formula_reduced": "RbTb(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.3916872,
"spacegroup": 15
},
{
"id": "jvasp-35152",
"created_at": "2022-09-04T14:38:14.781913Z",
"updated_at": "2022-09-04T14:38:14.781930Z",
"structure_string": "Ga3 B1 N4\n1.0\n4.311172 -0.000000 0.000000\n0.000000 4.311172 -0.000000\n-0.000000 0.000000 4.311172\nGa B N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 B\n0.779905 0.779905 0.220094 N\n0.779905 0.220094 0.779905 N\n0.220094 0.779905 0.779905 N\n0.220094 0.220094 0.220094 N\n",
"nsites": 8,
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"elements": [
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"N"
],
"chemical_system": "B-Ga-N",
"density": 5.719826157868458,
"density_atomic": 0.09983985396683705,
"volume": 80.12832232965096,
"volume_molar": 6.031800449147615,
"formula_full": "Ga3 B1 N4",
"formula_reduced": "Ga3BN4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.3916315697916666,
"spacegroup": 215
},
{
"id": "jvasp-55814",
"created_at": "2022-09-04T14:38:14.365634Z",
"updated_at": "2022-09-04T14:38:14.365644Z",
"structure_string": "K2 Ni1 Pb1 N6 O12\n1.0\n6.452143 0.000000 3.725146\n2.150714 6.083138 3.725146\n0.000000 -0.000000 7.450293\nK Ni Pb N O\n2 1 1 6 12\ndirect\n0.250000 0.250001 0.250000 K\n0.749998 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Ni\n0.499999 0.500000 0.500001 Pb\n0.195756 0.195755 0.804244 N\n0.804244 0.804245 0.195756 N\n0.195754 0.804245 0.195757 N\n0.804245 0.195755 0.804246 N\n0.195754 0.804245 0.804246 N\n0.804245 0.195755 0.195757 N\n0.154894 0.845105 0.359938 O\n0.640062 0.359938 0.845105 O\n0.845103 0.359938 0.154896 O\n0.640062 0.154894 0.359938 O\n0.359937 0.154894 0.845106 O\n0.359936 0.640063 0.154896 O\n0.845103 0.640063 0.359939 O\n0.640062 0.845105 0.154895 O\n0.154894 0.359938 0.640062 O\n0.154895 0.640063 0.845104 O\n0.359936 0.845105 0.640063 O\n0.845105 0.154894 0.640063 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.5214532819913202,
"density_atomic": 0.07523461018658785,
"volume": 292.4186082102139,
"volume_molar": 8.004481906750907,
"formula_full": "K2 Ni1 Pb1 N6 O12",
"formula_reduced": "K2NiPb(NO2)6",
"formula_anonymous": "ABC2D6E12",
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"spacegroup": 202
},
{
"id": "jvasp-119397",
"created_at": "2022-09-04T14:38:51.121881Z",
"updated_at": "2022-09-04T14:38:51.121916Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.149711 0.001980 0.089847\n2.450512 4.529182 -0.090201\n0.084727 -0.141665 10.405046\nLi Mn B O\n2 4 4 12\ndirect\n0.513683 0.545527 0.255792 Li\n0.454439 0.486345 0.755814 Li\n0.951774 0.714963 0.625534 Mn\n0.015749 0.317169 0.386456 Mn\n0.285048 0.048222 0.125531 Mn\n0.682829 0.984259 0.886460 Mn\n0.004435 0.361461 0.877227 B\n0.638535 0.995560 0.377221 B\n0.329060 0.036502 0.634659 B\n0.963506 0.670943 0.134658 B\n0.299942 0.791307 0.641093 O\n0.208709 0.700041 0.141080 O\n0.941355 0.438661 0.196091 O\n0.561338 0.058656 0.696093 O\n0.406293 0.973301 0.315801 O\n0.138127 0.281514 0.567311 O\n0.829282 0.750738 0.444725 O\n0.249260 0.170692 0.944724 O\n0.718484 0.861896 0.067321 O\n0.667773 0.240660 0.370575 O\n0.026698 0.593699 0.815808 O\n0.759323 0.332245 0.870590 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.2105658787105296,
"density_atomic": 0.09071974389322378,
"volume": 242.505093774226,
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"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3914873317659358,
"spacegroup": 15
},
{
"id": "jvasp-42369",
"created_at": "2022-09-04T14:37:28.723140Z",
"updated_at": "2022-09-04T14:37:28.723168Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.209526 -0.059381 -0.031121\n-2.288042 5.264983 -0.022638\n-0.066570 -2.564509 8.736989\nLi Mn B O\n2 4 4 12\ndirect\n0.254190 0.673088 0.189309 Li\n0.745811 0.326912 0.810691 Li\n0.760068 0.744335 0.398663 Mn\n0.277341 0.752014 0.870275 Mn\n0.722660 0.247985 0.129725 Mn\n0.239933 0.255664 0.601337 Mn\n0.780088 0.744342 0.054033 B\n0.274239 0.741640 0.530111 B\n0.725762 0.258360 0.469889 B\n0.219913 0.255658 0.945967 B\n0.622200 0.282067 0.606945 O\n0.141003 0.332790 0.825325 O\n0.664195 0.359349 0.358464 O\n0.887604 0.704721 0.919106 O\n0.112397 0.295279 0.080894 O\n0.566700 0.838822 0.070626 O\n0.858998 0.667209 0.174675 O\n0.377800 0.717932 0.393055 O\n0.088950 0.863106 0.559064 O\n0.911051 0.136894 0.440936 O\n0.335806 0.640651 0.641536 O\n0.433301 0.161177 0.929374 O\n",
"nsites": 22,
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"elements": [
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"B",
"O"
],
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"density": 3.271948953352288,
"density_atomic": 0.09245422218186598,
"volume": 237.95560095377763,
"volume_molar": 6.513646016245633,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.391447331765935,
"spacegroup": 2
},
{
"id": "jvasp-71434",
"created_at": "2022-09-04T14:35:48.743671Z",
"updated_at": "2022-09-04T14:35:48.743689Z",
"structure_string": "Ti1 Be1 Nb1\n1.0\n1.487333 -2.576136 -0.000000\n1.487333 2.576136 0.000000\n0.000000 0.000000 6.104710\nTi Be Nb\n1 1 1\ndirect\n0.333332 0.666666 0.308366 Ti\n0.000000 0.000000 0.002922 Be\n0.666666 0.333332 0.688712 Nb\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.316759510018155,
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"volume": 46.78127284955701,
"volume_molar": 9.390780334399956,
"formula_full": "Ti1 Be1 Nb1",
"formula_reduced": "TiBeNb",
"formula_anonymous": "ABC",
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"spacegroup": 156
}
]
}